1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+)

C12H18Al2Cl8Ti — CID 16687457

IUPAC1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+)
SMILESCc1c(C)c(C)c(C)c(C)c1C.Cl[Al-](Cl)(Cl)Cl.Cl[Al-](Cl)(Cl)Cl.[Ti+2]
InChIInChI=1S/C12H18.2Al.8ClH.Ti/c1-7-8(2)10(4)12(6)11(5)9(7)3;;;;;;;;;;;/h1-6H3;;;8*1H;/q;2*+3;;;;;;;;;+2/p-8
InChIKeyRXQZIUKRCXNRNJ-UHFFFAOYSA-F
MW547.73 g/mol
LogP8.29
Rot. Bonds

About 1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+)

1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+) (PubChem CID 16687457) has the molecular formula C12H18Al2Cl8Ti and a molecular weight of 547.73 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+).

Molecular Properties

Compound Name1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+)
PubChem CID16687457
Molecular FormulaC12H18Al2Cl8Ti
Molecular Weight547.73 g/mol
Exact Mass543.80
IUPAC Name1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+)
SMILESCc1c(C)c(C)c(C)c(C)c1C.Cl[Al-](Cl)(Cl)Cl.Cl[Al-](Cl)(Cl)Cl.[Ti+2]
InChIInChI=1S/C12H18.2Al.8ClH.Ti/c1-7-8(2)10(4)12(6)11(5)9(7)3;;;;;;;;;;;/h1-6H3;;;8*1H;/q;2*+3;;;;;;;;;+2/p-8
InChIKeyRXQZIUKRCXNRNJ-UHFFFAOYSA-F
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.73
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 11072056
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CID 144963527
bis(1,2,3,4,5,6-hexamethylbenzene);iron
CID 174058655
1,2,3,4,5,6-hexamethylbenzene;methane
CID 159570864
boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+)
CID 134902011
1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide
CID 159746066
1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 20692314
1-chloro-1,2-dimethylphosphiren-1-ium;tetrachloroalumanuide
CID 16696951
dilithium bis(tetrachloroalumanuide)
CID 175869238
1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene
CID 157259887
1,2,3,4,5-pentamethyl-6-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]benzene
CID 145429848
methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene)
CID 163470623

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+)?
The IUPAC name of 1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+) (CID 16687457) is 1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+).
What is the SMILES notation for 1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+)?
The canonical SMILES for 1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+) is Cc1c(C)c(C)c(C)c(C)c1C.Cl[Al-](Cl)(Cl)Cl.Cl[Al-](Cl)(Cl)Cl.[Ti+2].
What is the InChIKey of 1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+)?
The InChIKey is RXQZIUKRCXNRNJ-UHFFFAOYSA-F. The full InChI is InChI=1S/C12H18.2Al.8ClH.Ti/c1-7-8(2)10(4)12(6)11(5)9(7)3;;;;;;;;;;;/h1-6H3;;;8*1H;/q;2*+3;;;;;;;;;+2/p-8.
What are the key properties of 1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+)?
1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+) has a molecular weight of 547.73 g/mol, XLogP of 8.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+) is sourced from PubChem (CID 16687457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).